6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one

C9H9N3O2 — CID 165345963

IUPAC6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Cc2ccco2)c(=O)[nH]1
InChIInChI=1S/C9H9N3O2/c1-6-10-9(13)8(12-11-6)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,11,13)
InChIKeyNOCNBCBGCRSSJI-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.66
Rot. Bonds2

About 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one

6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one (PubChem CID 165345963) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one
PubChem CID165345963
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Cc2ccco2)c(=O)[nH]1
InChIInChI=1S/C9H9N3O2/c1-6-10-9(13)8(12-11-6)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,11,13)
InChIKeyNOCNBCBGCRSSJI-UHFFFAOYSA-N
XLogP0.66
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one
CID 136779754
6-(furan-2-ylmethyl)-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one
CID 135681439
3-(2-ethylanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135721958
3-[4-(dimethylamino)anilino]-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136778903
3-(2-chloroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135582129
3-(cyclooctylamino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136683781
3-[2-(4-fluorophenyl)ethylamino]-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780331
3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779265
3-(2,5-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779320
6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one
CID 135510455
6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
CID 136780272
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780407

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one (CID 165345963) is 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(Cc2ccco2)c(=O)[nH]1.
What is the InChIKey of 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is NOCNBCBGCRSSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-10-9(13)8(12-11-6)5-7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,11,13).
What are the key properties of 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one?
6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 191.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 165345963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).